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1WP7
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CRYSTAL STRUCTURE OF NIPAH VIRUS FUSION CORE
Descriptor:fusion protein
Authors:Xu, Y., Liu, Y., Lou, Z., Su, N., Bai, Z., Gao, G.F., Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nipah Virus fusion core
To be Published
1WP8
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CRYSTAL STRUCTURE OF HENDRA VIRUS FUSION CORE
Descriptor:Fusion glycoprotein F0,Fusion glycoprotein F0
Authors:Xu, Y., Liu, Y., Lou, Z., Su, N., Bai, Z., Gao, G.F., Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Nipah and Hendra virus fusion core proteins
FEBS J., 273, 2006
6B3E
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CRYSTAL STRUCTURE OF HUMAN CDK12/CYCLINK IN COMPLEX WITH AN INHIBITOR
Descriptor:Cyclin-dependent kinase 12, Cyclin-K, MAGNESIUM ION, ...
Authors:Ferguson, A.D.
Deposit date:2017-09-21
Release date:2017-12-27
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure-Based Design of Selective Noncovalent CDK12 Inhibitors.
ChemMedChem, 13, 2018
3U4U
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CASEIN KINASE 2 IN COMPLEX WITH AZ-INHIBITOR
Descriptor:Casein kinase II subunit alpha, 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION
Authors:Larsen, N.A., Dowling, J.
Deposit date:2011-10-10
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3, 2012
4W5S
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TANKYRASE IN COMPLEX WITH COMPOUND
Descriptor:Tankyrase-1, GLYCEROL, 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, ...
Authors:Johannes, J., Kazmirski, S.L., Boriack-Sjodin, P.A., Howard, T.
Deposit date:2014-08-18
Release date:2015-05-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
4W6E
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HUMAN TANKYRASE 1 WITH SMALL MOLECULE INHIBITOR
Descriptor:Tankyrase-1, ZINC ION, 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one
Authors:Kazmirski, S.L., Johannes, J., Boriack-Sjodin, P.A., Howard, T.
Deposit date:2014-08-20
Release date:2015-05-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5EBT
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TANKYRASE 1 WITH PHTHALAZINONE 2
Descriptor:Tankyrase-1, (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, ...
Authors:Kazmirski, S.L., Johannes, J.
Deposit date:2015-10-19
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5ECE
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TANKYRASE 1 WITH PHTHALAZINONE 1
Descriptor:Tankyrase-1, 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ...
Authors:Kazmirski, S.L., Johannes, J., Read, J.A., Howard, T., Larsen, N.A., Ferguson, A.D.
Deposit date:2015-10-20
Release date:2015-11-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5KU9
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CRYSTAL STRUCTURE OF MCL1 WITH COMPOUND 1
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide
Authors:Ferguson, A.D.
Deposit date:2016-07-13
Release date:2017-01-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
5MES
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MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, Heavy Chain, Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
5MEV
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MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
6FS0
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INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH AZD5991
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS1
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MCL1 IN COMPLEX WITH AN INDOLE ACID LIGAND
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, 1,2-ETHANEDIOL
Authors:Kasmirski, S., Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6FS2
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MCL1 IN COMPLEX WITH INDOLE ACID LIGAND
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid
Authors:Hargreaves, D.
Deposit date:2018-02-18
Release date:2018-12-26
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
6RNU
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BCL-XL IN A COMPLEX WITH A COVALENT SMALL MOLECULE INHIBITOR
Descriptor:Bcl-2-like protein 1, 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION
Authors:Hargreaves, D.
Deposit date:2019-05-09
Release date:2019-10-02
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and optimization of covalent Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 2019